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CAS 1261783-62-3 1-Bromo-4-(difluoromethoxy)naphthalene molecular structure lightbox
CAS RN: 1261783-62-3

1-Bromo-4-(difluoromethoxy)naphthalene

  • Product code: SSC-032903
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1261783-62-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1261783-62-3 / 1-bromo-4-(difluoromethoxy)naphthalene

Standard CAS: 1261783-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261783-62-3
Multi CAS
No
Molecular Formula
C11H7BrF2O
Molecular Weight
273.070000
Exact Mass
271.964830
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)OC(F)F
InChI
InChI=1S/C11H7BrF2O/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H
InChIKey
CHYDZIWZWYQIKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.28
TPSA
9.23

LogP / Solubility

WLOGP
4.2
MLOGP
3.71
XLogP3
4.8
Consensus LogP
4.24
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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